Structural features and atomic dynamics in Si/SiO2 superlattices: First-principles calculations / Rudenko A. N.,Mazurenko V. G. // PHYSICS OF THE SOLID STATE. - 2010. - V. 52, l. 11. - P. 2409-2414.

ISSN/EISSN:

1063-7834 / нет данных

Type:

Article

Abstract:

The crystal structure and atomic dynamics of Si/SiO2 superlattices based on silicon in the diamond and beta-cristobalite lattices have been investigated. The two basic models for the description of interfaces in the system under investigation, i.e., the double-bonded model and the bridge-oxygen model, have been considered. It has been shown that the atomic structure of the lattices substantially changes during the relaxation as compared to ideal model structures. An analysis of the vibrational spectra has demonstrated that, in the high-frequency spectral range (600-1200 cm(-1)), there appear vibrational modes that have no dispersion in the direction of the lattice growth. The absence of vibrations characteristic of silicon and beta-cristobalite in the spectra of the superlattices indicates that their formation occurs at the interfaces and that a particular frequency dependence is determined by the redistribution of atoms in this region.

Author keywords:

ALPHA-QUARTZ; MODES

DOI:

10.1134/S1063783410110302

Web of Science ID:

ISI:000284323500030

Соавторы в МНС:

Другие поля

Поле	Значение
Month	NOV
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
Keywords-Plus	ALPHA-QUARTZ; MODES
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	mvg@dpt.ustu.ru
ResearcherID-Numbers	Rudenko, Alexander/E-2737-2017
Funding-Acknowledgement	Ministry of Education and Science of the Russian Federation {[}2.1.1/779]
Funding-Text	This study was supported by the Ministry of Education and Science of the Russian Federation within the framework of the Analytical Departmental Target Program ``Development of the Scientific Potential of the Higher School of the Russian Federation (2009-2010){''} (project no. 2.1.1/779).
Number-of-Cited-References	21
Usage-Count-Since-2013	2
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	681NQ